1128268-00-7

Basic information

• Product Name: 1H-pyrazole-4-carboxylic acid, 1-(6-chloropyridin-2-yl)-5-(trifluoroMethyl)-, ethyl ester
• Synonyms: 1H-pyrazole-4-carboxylic acid, 1-(6-chloropyridin-2-yl)-5-(trifluoroMethyl)-, ethyl ester;ethyl 1-(6-chloropyridin-2-yl)-5-(trifluoroMethyl)-1H-pyrazole-4-carboxylate
• CAS NO: 1128268-00-7
• Molecular Formula: C₁₂H₉ClF₃N₃O₂
• Molecular Weight: 319.6669696
• Mol File: 1128268-00-7.mol
• Article Data: 12

Chemical Properties

• Boiling Point: 411.9±45.0 °C(Predicted)
• Appearance: /
• Density: 1.48±0.1 g/cm3(Predicted)
• PKA: -4.62±0.10(Predicted)
• CAS DataBase Reference: 1H-pyrazole-4-carboxylic acid, 1-(6-chloropyridin-2-yl)-5-(trifluoroMethyl)-, ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-pyrazole-4-carboxylic acid, 1-(6-chloropyridin-2-yl)-5-(trifluoroMethyl)-, ethyl ester(1128268-00-7)
• EPA Substance Registry System: 1H-pyrazole-4-carboxylic acid, 1-(6-chloropyridin-2-yl)-5-(trifluoroMethyl)-, ethyl ester(1128268-00-7)

Safety Data

• Hazardous Substances Data: 1128268-00-7(Hazardous Substances Data)

Usage

Molecular class

1H-pyrazole-4-carboxylic acid derivatives

Functional groups

Carboxylic acid, chloropyridin, trifluoromethyl, ethyl ester

Molecular weight

330.7

Physical state

Solid

Solubility

Insoluble in water, soluble in organic solvents

Uses

Intermediate in the synthesis of bioactive compounds and drugs, crop protection

Building block

Yes (due to the presence of chloropyridin and trifluoromethyl groups)

Enhanced properties

Increased solubility and bioavailability (due to the ethyl ester moiety)

Importance

Valuable candidate for drug development and formulation, versatile applications in pharmaceutical and agrochemical products.

Upstream product

• 26944-71-8 (6-bromopyridin-2-yl)hydrazine 
• 1048670-08-1 2-[1-ethoxy-meth-(Z)-ylidene]-4,4,4-trifluoro-3-oxo-butyric acid ethyl ester 
• 2402-78-0 2,6-dichloropyridine 
• 571-55-1 ethyl 2-(ethoxymethylidene)-4,4,4-trifluoro-3-oxobutanoate 
• 5193-03-3 (6-chloropyridin-2-yl)hydrazine 
• 22841-92-5 (3-chloro-2-pyridyl)hydrazine 
• 372-31-6 ethyl 4,4,4-trifluoroacetoacetate 

Downstream Products

• 1158984-28-1 1-[6-(3,5-dichlorophenyl)-2-pyridinyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid 
• 1128268-02-9 ethyl 1-[6-(2-hydroxylphenyl)pyridine-2-yl]-5-trifluoromethyl-1H-pyrazole-4-carboxylate 
• 1128268-23-4 ethyl 1-[6-(2-methoxy-5-methylphenyl)pyridin-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate 
• 1128268-14-3 Ethyl 1-(6-{2-[(4-iodobenzyl)oxy]phenyl}pyridin-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate 
• 1160431-24-2 Ethyl 1-(6-(5-fluoro-2-methoxyphenyl)pyridin-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate 
• 1240969-71-4 C₁₉H₁₅F₄N₃O₃ 
• 1240969-79-2 Ethyl 1-[6-(3-formyl-2-methoxyphenyl)pyridin-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate 
• 1240970-58-4 ethyl 1-(6-(2-hydroxy-3-(trifluoromethyl)phenyl)pyridin-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate 
• 1240970-83-5 Ethyl 1-(6-(3-chloro-2-hydroxyphenyl)pyridin-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate 
• 1128268-25-6 ethyl 1-[6-(2-hydroxy-5-methylphenyl)pyridin-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate 
• 1398414-91-9 ethyl 1-(6-(5-methyl-2-((1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy)phenyl)pyridin-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate 
• 1398414-92-0 C₃₁H₂₉F₃N₄O₄ 
• 1398410-21-3 C₂₈H₂₅F₃N₄O₃ 
• 1398411-39-6 1-(6-{5-methyl-2-[2-(tetrahydofuran-3-yl)-1,2,3,4-tetrahydroisoquinolin-6-ylmethoxy]phenyl}pyridin-2-yl)-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid 

Relevant articles and documents

Fragment-Guided Discovery of Pyrazole Carboxylic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1: Nuclear Factor Erythroid 2 Related Factor 2 (KEAP1:NRF2) Protein-Protein Interaction

The NRF2-mediated cytoprotective response is central to cellular homoeostasis, and there is increasing interest in developing small-molecule activators of this pathway as therapeutics for diseases involving chronic oxidative stress. The protein KEAP1, which regulates NRF2, is a key point for pharmacological intervention, and we recently described the use of fragment-based drug discovery to develop a tool compound that directly disrupts the protein-protein interaction between NRF2 and KEAP1. We now present the identification of a second, chemically distinct series of KEAP1 inhibitors, which provided an alternative chemotype for lead optimization. Pharmacophoric information from our original fragment screen was used to identify new hit matter through database searching and to evolve this into a new lead with high target affinity and cell-based activity. We highlight how knowledge obtained from fragment-based approaches can be used to focus additional screening campaigns in order to de-risk projects through the rapid identification of novel chemical series.

BIARYL PYRAZOLES AS NRF2 REGULATORS

The present invention relates to biaryl pyrazole compounds, methods of making them, pharmaceutical compositions containing them and their use as NRF2 regulators.

INDANE AND INDOLINE DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS

The present invention provides a compound of formula (I) or a pharmaceutically acceptable salt thereof; a method for manufacturing the compounds of the invention, and its therapeutic uses. The present invention further provides a combination of pharmacologically active agents and a pharmaceutical composition.